ibrutinib (Q5984881)

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chemical compound

Imbruvica®
PCI-32765
PCI 32765
PCI32765
Ibrutinib
1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one

Language	Label	Description	Also known as
English	ibrutinib	chemical compound	Imbruvica® PCI-32765 PCI 32765 PCI32765 Ibrutinib 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one

Statements

type of chemical entity

0 references

1-[3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinyl]-2-propen-1-one

1 reference

based on heuristic

inferred from InChIKey

0 references

chemical structure

PCI-32765.svg
512 × 745; 25 KB

0 references

440.196 dalton

1 reference

language of work or name

Ibrutinib (English)

19 October 2016

chemical formula

C₂₅H₂₄N₆O₂

1 reference

language of work or name

Ibrutinib (English)

20 November 2016

canonical SMILES

C=CC(=O)N1CCCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

1 reference

language of work or name

Ibrutinib (English)

20 November 2016

isomeric SMILES

C=CC(=O)N1CCC[C@H](C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

1 reference

language of work or name

Ibrutinib (English)

20 November 2016

active ingredient in

1 reference

14 February 2018

World Health Organisation international non-proprietary name

ibrutinib (English)

1 reference

language of work or name

ibrutinib (English)

19 October 2016

medical condition treated

1 reference

Drug Indications Extracted from FAERS

2 October 2018

central nervous system lymphoma

1 reference

Drug Indications Extracted from FAERS

2 October 2018

mantle cell lymphoma

1 reference

Drug Indications Extracted from FAERS

2 October 2018

Waldenström macroglobulinemia

1 reference

Drug Indications Extracted from FAERS

2 October 2018

chronic lymphocytic leukemia

1 reference

Drug Indications Extracted from FAERS

2 October 2018

lymphoblastic leukemia

1 reference

Drug Indications Extracted from FAERS

2 October 2018

graft-versus-host disease

1 reference

Drug Indications Extracted from FAERS

2 October 2018

non-Hodgkin lymphoma

1 reference

Drug Indications Extracted from FAERS

2 October 2018

1 reference

Drug Indications Extracted from FAERS

2 October 2018

B-cell lymphoma

1 reference

Drug Indications Extracted from FAERS

2 October 2018

diffuse large B-cell lymphoma

1 reference

Drug Indications Extracted from FAERS

2 October 2018

significant drug interaction

retroperitoneal hemorrhage

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

retroperitoneal hemorrhage

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

retroperitoneal hemorrhage

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

retroperitoneal hemorrhage

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

retroperitoneal hemorrhage

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

retroperitoneal hemorrhage

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

retroperitoneal hemorrhage

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

retroperitoneal hemorrhage

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

retroperitoneal hemorrhage

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

retroperitoneal hemorrhage

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

retroperitoneal hemorrhage

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

bone marrow failure

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

bone marrow failure

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

bone marrow failure

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

physically interacts with

BLK proto-oncogene, Src family tyrosine kinase

subject has role

enzyme inhibitor

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

17 August 2016

BMX non-receptor tyrosine kinase

subject has role

enzyme inhibitor

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

17 August 2016

Bruton's tyrosine kinase

subject has role

enzyme inhibitor

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

17 August 2016

pregnancy category

US pregnancy category D

1 reference

imported from Wikimedia project

English Wikipedia

LiverTox likelihood score

LiverTox toxicity likelihood category D

1 reference

8 April 2021

https://www.ncbi.nlm.nih.gov/books/n/livertox/Ibrutinib

13 April 2018

subject has role

protein kinase inhibitors

1 reference

5 March 2018

0 references

Commons category

Ibrutinib

0 references

Identifiers

InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1

1 reference

language of work or name

Ibrutinib (English)

20 November 2016

XYFPWWZEPKGCCK-GOSISDBHSA-N

2 references

language of work or name

Ibrutinib (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

ibrutinib (English)

20 November 2016

XYFPWWZEPKGCCK-GOSISDBHSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=936563-96-1

1 reference

language of work or name

Ibrutinib (English)

20 November 2016

2 references

language of work or name

Ibrutinib (English)

20 November 2016

matched by identifier from

XYFPWWZEPKGCCK-GOSISDBHSA-N

Reaxys registry number

13102252

1 reference

language of work or name

ibrutinib (English)

19 October 2016

mapping relation type

2 references

language of work or name

IBRUTINIB (English)

20 November 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1

1 reference

language of work or name

IBRUTINIB (English)

20 November 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

XYFPWWZEPKGCCK-GOSISDBHSA-N

UniChem compound ID

1 reference

1 reference

Hazardous Substances Data Bank

publication date

28 October 2019

IBRUTINIB (English)

10 May 2021

DSSTox substance ID

1 reference

matched by identifier from

XYFPWWZEPKGCCK-GOSISDBHSA-N

DSSTOX compound identifier

DTXCID601323465

0 references

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

(R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (Form I) (English)

CAS no.: 936563-96-1 (English)

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

(R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (Form I) (English)

CAS no.: 936563-96-1 (English)

1 reference

language of work or name

Ibrutinib (English)

publication date

17 November 2015

Guide to Pharmacology Ligand ID

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

ibrutinib (English)

20 November 2016

1 reference

Global Substance Registration System

language of work or name

ibrutinib (English)

20 November 2016

1 reference

matched by identifier from

XYFPWWZEPKGCCK-GOSISDBHSA-N

2 references

Global Substance Registration System

language of work or name

ibrutinib (English)

20 November 2016

matched by identifier from

XYFPWWZEPKGCCK-GOSISDBHSA-N

MedlinePlus drug identifier

0 references

1 reference

Global Substance Registration System

language of work or name

ibrutinib (English)

20 November 2016

Probes And Drugs ID

0 references

1 reference

1 reference

language of work or name

ibrutinib (English)

19 October 2016

0 references

1 reference

Freebase Data Dumps

publication date

28 October 2013

Microsoft Academic ID

0 references

1 reference

26 January 2022

https://docs.openalex.org/download-snapshot/snapshot-data-format

PDB structure ID

1 reference

Protein Data Bank

PDB structure ID

language of work or name

4IFG (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

4RZ7 (English)

19 October 2016

UK Parliament thesaurus ID

subject named as

Ibrutinib

0 references

1 reference

Global Substance Registration System

language of work or name

ibrutinib (English)

20 November 2016

WikiProjectMed ID

0 references

Sitelinks

Wikipedia(15 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(1 entry)

commonswiki Category:Ibrutinib

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